Thanks for admin. Today, I have recompiled the VASP code (ver 4.6.28) based on the instruction on http://theory.cm.utexas.edu/vtsttools/bader/vasp.php
But I find that no any PARTIAL CORE CHARGE has been added to CHGCAR for the normal POTCAR (PAW). If I adopt the PAW_h potential (with a high cutoff ...
Search found 2 matches
- Tue Nov 21, 2006 10:17 am
- Forum: Bader
- Topic: Problem about zero bader charge!
- Replies: 2
- Views: 13872
- Tue Nov 21, 2006 2:22 am
- Forum: Bader
- Topic: Problem about zero bader charge!
- Replies: 2
- Views: 13872
Problem about zero bader charge!
Dear All:
I have met the zero charge problem when I calculate the boron-nitride with VASP package. Based on previous topics, admins suggest to add the extra charge with the modified VASP. However, can I add some extra charge with a "crude" scheme, i.e., to add point charge (or a charged ball with ...
I have met the zero charge problem when I calculate the boron-nitride with VASP package. Based on previous topics, admins suggest to add the extra charge with the modified VASP. However, can I add some extra charge with a "crude" scheme, i.e., to add point charge (or a charged ball with ...